Article
Biochemistry & Molecular Biology
Min Zou, Jiawen Li, Bo Jin, Mingsheng Wang, Huiping Chen, Zhuangli Zhang, Changzheng Zhang, Zhihong Zhao, Liyun Zheng
Summary: Dual targeting of EGFR/HER2 receptors is an attractive strategy for cancer therapy. Compound 6d, a 4-anilinoquinoline-3-carbonitrile derivative, showed significant antiproliferative activity against SK-BR-3 and A431 cell lines, with potency comparable to Lapatinib and higher than Neratinib. Molecular docking studies indicated the binding modes of compound 6d in EGFR and HER2 binding sites, suggesting it as a potential candidate for further investigation as a potent anticancer agent.
BIOORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Digambar B. Yevale, Nishith Teraiya, Twinkle D. Lalwani, Rakesh Kumar Ameta, Chetan B. Sangani
Summary: In this study, a novel pyrazole compound substituted at the 4th position was designed, synthesized, and evaluated for its cytotoxicity against cancer cells and inhibition of Aurora-A kinase. Compound 5h and 5e showed high cytotoxicity against MCF-7 and MDA-MB-231 cells and displayed strong inhibition of Aurora-A kinase. These findings suggest that compounds 5h and 5e may have potential as anticancer agents.
BIOORGANIC CHEMISTRY
(2023)
Review
Chemistry, Medicinal
Tathagata Pradhan, Ojasvi Gupta, Gurpreet Singh, Vikramdeep Monga
Summary: Aurora kinases, a family of regulatory proteins playing a crucial role in cell proliferation, have emerged as validated drug targets for anticancer drug discovery. The design and development of Aurora kinase inhibitors have been widely explored as potential anticancer agents, showing promising results in growth inhibition and apoptosis in tumor cells.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Hasnain Mehmood, Mustapha Musa, Simon Woodward, Md Shahadat Hossan, Tracey D. Bradshaw, Muhammad Haroon, Andrew Nortcliffe, Tashfeen Akhtar
Summary: This study describes the rapid synthesis of a library of 4-cyanophenyl-2-hydrazinylthiazoles through a simple cyclization reaction. These compounds exhibit anticancer activity against HCT-116 and MCF-7 carcinoma cell lines, with some showing higher activity than cisplatin positive controls. The mechanism of action studies suggest that certain compounds induce cancer cell death through caspase-dependent apoptosis. The combination of straightforward synthesis and high activity makes these thiazoles a promising lead for further development.
Article
Biochemistry & Molecular Biology
Abdallah E. Abdallah, Sally Eissa, Maged Mohammed Saleh Al Ward, Reda R. Mabrouk, Ahmed B. M. Mehany, Mohamed Ayman El-Zahabi
Summary: This work aimed to develop new effective anti-cancer agents by designing and synthesizing nineteen new quinazolin4-one derivatives with potential anticancer activity. Compound 36 was identified as the most potent candidate with significant inhibition of VEGFR-2 kinase and good anti-cancer activity against multiple cancer cell lines. Additionally, compound 36 showed good selectivity index and the ability to induce apoptosis in cancer cells.
BIOORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Elena Kalinichenko, Aliaksandr Faryna, Tatyana Bozhok, Alesya Panibrat
Summary: A novel class of potential protein kinase inhibitors, synthesized in high yields, showed inhibitory activity against seven cancer cell lines, with compounds 7 and 10 being the most promising. Additionally, these compounds exhibited inhibitory activity against PDGFR alpha and PDGFR beta at a concentration of 1 μM. Molecular modeling experiments indicated that the obtained compounds could bind to PDGFR alpha as either type 1 or type 2 inhibitors depending on the substituents in the amide part of the molecule.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Organic
Shazia Parveen, Mohamad Hagar, Rua B. Alnoman, Hoda A. Ahmed, El Sayed H. El Ashry, Mohamed A. Zakaria
Summary: A quinazoline derivative was synthesized to potentially act as a VEGFR-2 and Aurora kinase inhibitor. The most stable conformer, syn conformer 3, showed potential to be a dual inhibitor.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Physical
Mohamed E. Khalifa
Summary: Nine new purine-based compounds were designed and synthesized, characterized by physical and spectroscopic methods, and tested for their anti-cancer activity against various human cancer cell lines. The compounds showed higher efficiency against breast cancer cell lines and were docked with an anticancer enzyme for understanding the mechanism of action.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Chao Wang, Zeyu Wang, Minghuan Gao, Yuelin Li, Yujing Zhang, Kai Bao, Yingliang Wu, Qi Guan, Daiying Zuo, Weige Zhang
Summary: The study reports on efforts to discover and optimize a new series of 5-aryl-4-(4 arylpiperazine-1-carbonyl)-1,2,3-thiadiazoles as microtubule-destabilizing agents, with some compounds showing potent antiproliferative activities against three human cancer cell lines. Compound 5m demonstrated the highest potency and effectively inhibited tubulin polymerization, disrupting microtubule dynamics. Additionally, it dramatically arrested cell cycle progression at the G2/M phase based on cell cycle studies.
BIOORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Mehmet Karatas, Apirat Chaikuad, Bianca Berger, Michael H. G. Kubbutat, Frank Totzke, Stefan Knapp, Conrad Kunick
Summary: This study successfully synthesized new compounds with dual inhibitory effects on Aurora A kinase and VEGF receptor kinases by formally dissecting and reassembling the basic structure of a known inhibitor class. Crystal structures of the new compounds in complex with Aurora A provided insights for rational structural modifications, and in vitro screening showed anti-proliferative activity in cancer cell lines.
Article
Biochemistry & Molecular Biology
Islam H. Ali, Heba T. Abdel-Mohsen, Marwa M. Mounier, Mahmoud T. Abo-Elfadl, Ahmed M. El Kerdawy, Iman A. Y. Ghannam
Summary: In this study, a series of conjugates of 2-arylbenzimidazole-thiopyrimidine and -thioquinazolin-4(3H)-ones were synthesized and tested for their anticancer and kinase inhibitory activities. Compounds 14c and 14g-i exhibited potent anticancer activity and RAF kinase inhibitory activity, suggesting their potential for cancer and tumor treatment.
BIOORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Dong Zhao, Antal H. Kovacs, Michael Campbell, Wely Floriano, Jinqiang Hou
Summary: In this study, the selective binding mechanism of Barasertib, a ligand with high selectivity for Aurora kinase B over A, was investigated through molecular dynamics simulations and binding free energy analyses. The results showed that the hinge residue Arg159 in Aurora kinase B played a crucial role in Barasertib binding, and the binding interactions at the hydrophobic back pocket were important for the selectivity. The insights into the structural determinants of subtype selectivity will contribute to the development of selective Aurora kinase B inhibitors for cancer therapy.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Meenu Beniwal, Neelam Jain, Sandeep Jain, Navidha Aggarwal
Summary: This study designed and synthesized a series of novel pyrazole derivatives, and evaluated their anticancer activity and inhibition of Aurora-A kinase. The results showed that compound P-6 exhibited potent cytotoxicity against two cancer cell lines and inhibition of Aurora-A kinase. Docking studies provided a probable binding model for compound P-6 and Aurora A kinase.
Article
Biochemistry & Molecular Biology
Natalie Oberhuber, Hindole Ghosh, Bianca Nitzsche, Prasad Dandawate, Michael Hoepfner, Rainer Schobert, Bernhard Biersack
Summary: New N-alkylindole-substituted 2-(pyrid-3-yl)-acrylonitriles and their (p-cymene)Ru(II) piano-stool complexes were synthesized and found to exhibit potent antiproliferative activity in various cancer models. Some of the derivatives showed lower IC50 values than clinically relevant multikinase inhibitors gefitinib and sorafenib, indicating their potential as novel therapeutic agents for cancer treatment. The investigation of drug mechanism in HCT-116 p53-knockout colon cancer cells revealed that the derivatives induced apoptotic caspase-3/7 activity, ROS formation, and anti-angiogenic properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Oluwatoba Emmanuel Oyeneyin, Abdulwasiu Ibrahim, Nureni Ipinloju, Adeniyi John Ademoyegun, Nathanael Damilare Ojo
Summary: In this study, the anti-corrosion and anti-cancer potentials of a compound called MAC were investigated using computational approaches. The results showed that MAC could interact spontaneously with iron surface and exhibited good anti-corrosion properties. Additionally, MAC showed comparable binding scores and better stability compared to the anti-cancer drug Crizotinib.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Medicinal
Iman A. Y. Ghannam, Ahmed M. El Kerdawy, Marwa M. Mounier, Mahmoud T. Abo-elfadl, Islam H. Ali
Summary: Two series of diaryl urea derivatives were synthesized and tested for their cytotoxic activity against cancer cells and inhibitory activity against VEGFR-2 kinase. Some compounds exhibited potent cytotoxicity and inhibitory activity, as well as inducing apoptosis and inhibiting cancer cell migration. Molecular docking simulations and ADME property predictions were also performed.
ARCHIV DER PHARMAZIE
(2023)
Article
Chemistry, Medicinal
Ahmed Sabt, Wagdy M. Eldehna, Tamer M. Ibrahim, Adnan A. Bekhit, Rasha Z. Batran
Summary: In this study, new quinoline-isatin hybrids were synthesized and tested for their antileishmanial activity. All compounds showed promising in vitro activity against Leishmania major strain and were found to have higher activity than the reference drug miltefosine. Compounds 4e, 4b, and 4f showed the highest antileishmanial activity against both promastigote and amastigote forms.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Vancha Harish, Waleed Hassan Almalki, Ahmed Alshehri, Abdulaziz Alzahrani, Madan Mohan Gupta, Sami I. Alzarea, Imran Kazmi, Monica Gulati, Devesh Tewari, Gaurav Gupta, Kamal Dua, Sachin Kumar Singh
Summary: The analytical quality by design (AQbD) approach is used to develop a simple, sensitive, and cost-effective reverse-phase high-performance liquid chromatographic method for estimating xanthohumol (XH) in bulk and nanoformulations. The Box-Behnken design (BBD) is utilized for method optimization, and the optimized conditions result in predicted values of retention time, peak area, peak height, tailing factor, and theoretical plates. The validation of the method satisfies the requirements specified by ICH Q2(R1) recommendations, indicating that the developed and validated AQbD method can be applied for estimating XH in bulk and various nanoformulations.
Article
Engineering, Chemical
Debjyoti Talukdar, Parveen Kumar, Benu Chaudhary, Deepak Sharma, Nishant Yadav, Obaid Afzal, Abdulmalik Saleh Alfawaz Altamimi, Waleed Hassan Almalki, Sami I. Alzarea, Imran Kazmi, Ashutosh Pareek, Gaurav Gupta, Madan Mohan Gupta
Summary: Recent research provides ample evidence of concept analyses recommending the use of nanotechnology for biomedical purposes. Nanostructures in the field of biotechnology interface with nanostructures, altering their composition and characteristics, thereby affecting particle dispersion, biotransformation, and potential toxic effects. Understanding the lifecycle of nanostructures and their biological impacts is vital in predicting exposure risks. The safe implementation of nanotechnology in biomedical applications requires a comprehensive understanding of nanomaterial recycling and transformations within living organisms. This review explores the safety, biotransformation, and multifunctional recycling mechanism of nanoscale materials.
Article
Pharmacology & Pharmacy
Omnia M. Hendawy, Mohammad M. Al-Sanea, Rehab M. Elbargisy, Hidayat Ur Rahman, Ahmed A. B. Mohamed, Islam Kamal, Reda F. M. Elshaarawy, Amgad I. M. Khedr, Wesam Abd El-Fattah
Summary: In this study, olive oil and its beneficial compounds were successfully loaded into nanoparticles, enhancing their pharmaceutical capabilities and demonstrating effective anti-cancer and antioxidant effects in vitro.
Review
Chemistry, Medicinal
Ayushi Nair, Alosh Greeny, Rajalakshmi Rajendran, Mohamed A. Abdelgawad, Mohammed M. Ghoneim, Roshni Pushpa Raghavan, Sachithra Thazhathuveedu Sudevan, Bijo Mathew, Hoon Kim
Summary: KIF1A-associated neurological diseases (KANDs) are a group of inherited diseases caused by mutations in the KIF1A gene, resulting in disrupted neuronal transport and various neurological pathologies. Currently, there is no permanent treatment, but gene therapy shows promise as a potential therapeutic approach.
Article
Biology
Taghreed S. Alnusaire, Sumera Qasim, Mohammad M. Al-Sanea, Omnia Hendawy, Ambreen Malik Uttra, Shaimaa R. Ahmed
Summary: This study utilized network pharmacology and molecular docking techniques to elucidate the anti-asthmatic mechanism of Acacia Nilotica. By collecting network data from multiple databases and conducting molecular docking calculations, it was found that 18 compounds of Acacia Nilotica interacted with human target genes, with 80 genes overlapping with asthma-related genes. AKT1, EGFR, VEGFA, and HSP90AB were identified as hub genes, while quercetin and apigenin were the most active components. The study predicted that Acacia Nilotica may exert its anti-asthmatic effect by modifying the p13AKT and MAPK signaling pathways.
Review
Biochemistry & Molecular Biology
Riya Thapa, Obaid Afzal, Abdulmalik Saleh Alfawaz Altamimi, Ahsas Goyal, Waleed Hassan Almalki, Sami I. Alzarea, Imran Kazmi, Vikash Jakhmola, Sachin Kumar Singh, Kamal Dua, Ritu Gilhotra, Gaurav Gupta
Summary: Numerous chronic diseases are caused by inflammation, and flavonols have shown potent anti-inflammatory properties in various models. The natural flavonol galangin (GAL) has the ability to control apoptosis and inflammation by suppressing ERK and NF-kappa Bp65 phosphorylation. GAL has been used to treat arthritis, inflammatory bronchitis, stroke, and cognitive dysfunction. This review aims to demonstrate the anti-inflammatory properties of GAL and its protective effects in the treatment of various chronic illnesses.
CHEMICO-BIOLOGICAL INTERACTIONS
(2023)
Article
Biochemistry & Molecular Biology
Shaza H. H. Aly, Nariman H. H. Kandil, Roqaya M. M. Hemdan, Sara S. S. Kotb, Sara S. S. Zaki, Omnia M. M. Abdelaziz, Mohamed M. M. AbdelRazek, Hadia Almahli, Mahmoud A. A. El Hassab, Sara T. T. Al-Rashood, Faizah A. A. Binjubair, Wagdy M. M. Eldehna
Summary: In this study, the chemical composition of lipophilic extract and essential oil from Moricandia sinaica were analyzed, revealing their cytotoxic and antioxidant activities. The lipophilic extract and oil were rich in aliphatic hydrocarbons, with octacosanol, gamma-sitosterol, alpha-amyrin, beta-amyrin acetate, and alpha-tocopherol as the major constituents of the lipophilic extract. The essential oil mainly consisted of monoterpenes and sesquiterpenes. Both the oil and extract showed cytotoxicity against HepG2 cells, and the extract exhibited strong antioxidant activity. Molecular docking studies identified potential compounds for oxidative stress management.
Article
Chemistry, Medicinal
Arafa Musa, Hamada S. Abulkhair, Ateyatallah Aljuhani, Nadjet Rezki, Mohamed A. Abdelgawad, Khaled Shalaby, Ahmed H. El-Ghorab, Mohamed R. Aouad
Summary: COVID-19 infection is a leading cause of human death. In this study, nineteen novel compounds were designed and synthesized to discover new medications for COVID-19. These compounds showed potent cellular anti-COVID-19 activity and inhibited viral replication with no or weak cytotoxic effect. In addition, the compounds were tested for their ability to block the primary protease of the SARS-CoV-2 virus and showed promising inhibitory activity. Molecular modeling studies and simulations were done to analyze the compounds' interactions and stability. The results suggest that these compounds have potential as potent medicines for SARS-CoV-2.
Article
Agronomy
Mha Albqmi, Mohammad Yaghoubi Khanghahi, Samy Selim, Mohammad M. Al-Sanea, Taghreed S. Alnusaire, Mohammed S. Almuhayawi, Soad K. Al Jaouni, Shaimaa Hussein, Mona Warrad, Hamada AbdElgawad
Summary: The purpose of this study was to evaluate the improvement in soybean plants' tolerance against vanadium-induced stress through the application of olive solid waste (OSW) and selenium nanoparticles (Se-NPs). The results of a pot experiment showed that the combined treatment of Se-NPs + OSW had positive effects on enhancing plant stress tolerance. This was achieved through improvements in photosynthetic parameters, metabolic pathways, non-enzymatic antioxidant metabolites, antioxidant enzymes, and biochemical components, resulting in increased plant biomass.
Article
Chemistry, Medicinal
Tamer M. Ibrahim, Ghada Abada, Marcel Dammann, Raed M. Maklad, Wagdy M. Eldehna, Rofaida Salem, Marwa M. Abdelaziz, Ramadan A. El-domany, Adnan A. Bekhit, Frank M. Beockler
Summary: Derivatives with tetrahydrobenzo[h]quinoline chemotype were synthesized and evaluated for their antileishmanial, antimalarial and antitubercular activities. These compounds were designed to possess antileishmanial activity through antifolate mechanism, targeting Leishmania major pteridine reductase 1 (Lm-PTR1). They showed promising in vitro activity against Leishmania parasites, Plasmodium berghei, and Mycobacterium tuberculosis. Molecular docking and simulations supported their mechanisms of action. This work introduces a potential solution for treating Neglected Tropical Diseases with drug resistance issues.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Asif Ahmad Bhat, Riya Thapa, Obaid Afzal, Neetu Agrawal, Waleed Hassan Almalki, Imran Kazmi, Sami I. Alzarea, Abdulmalik Saleh Alfawaz Altamimi, Parteek Prasher, Sachin Kumar Singh, Kamal Dua, Gaurav Gupta
Summary: Cytotoxic drugs kill cancer cells through apoptosis, but recent research has found that pyroptosis can inhibit cell proliferation and shrink tumors. Pyroptosis and apoptosis are caspase-dependent programmed cell death processes. Inflammasomes activate caspase-1 and latent cytokines, including IL-1 beta and IL-18, to induce pyroptosis by cleaving gasdermin E (GSDME). Understanding the cellular and molecular mechanisms of caspase-3 and GSDME-mediated programmed cell death, specifically pyroptosis, may lead to potential targets for cancer treatment.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Pharmacology & Pharmacy
Noura G. Eissa, Wagdy M. Eldehna, Esraa B. Abdelazim, Rana A. Eissa, Hend H. Mohamed, Nadeen H. Diab, Mahmoud A. El Hassab, Eslam B. Elkaeed, Zainab M. Elsayed, Marwa A. Sabet, Marwa H. Bakr, Ashraf Aboelela, Nahla A. Abdelshafi, Elbadawy A. Kamoun, Claudiu T. Supuran, Mahmoud Elsabahy, Ayat A. Allam
Summary: The study focuses on the morphologic design of gold nanoparticles for biomedical applications. The aim is to compare the effects of different morphologies of gold nanoparticles on ocular retention and intraocular pressure in a glaucoma rabbit model. Nanorods and nanospheres coated with poly(lactic-co-glycolic acid) (PLGA) have been synthesized and loaded with a carbonic anhydrase inhibitor (CAI). In vitro characterization showed high encapsulation efficiency for the synthesized CAI in both morphologies. In vivo studies revealed that drug-loaded spherical nanogolds had a superior efficacy in reducing intraocular pressure compared to the rod-shaped counterparts.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Biochemistry & Molecular Biology
Ahmed A. Al-Karmalawy, Radwan Alnajjar, Ayman Abo Elmaaty, Faizah A. Binjubair, Sara T. Al-Rashood, Basma S. Mansour, Ahmed Elkamhawy, Wagdy M. Eldehna, Khaled Ahmed Mansour
Summary: This study found that seven compounds isolated from Jasminum humile showed inhibitory activity against SARS-CoV-2 M-pro in vitro and in silico. The total extract (T1) exhibited the most significant activity, while the fractions (Fr1 and Fr3) also showed good activity. Molecular docking revealed that five of the compounds had high affinities towards the M-pro target.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)